1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine

C14H20FNO2S — CID 167493867

IUPAC1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine
SMILESCC(C)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C14H20FNO2S/c1-11(2)13-10-12(6-7-14(13)15)19(17,18)16-8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyDLCBLQPFZQZWTM-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.12
Rot. Bonds3

About 1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine

1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine (PubChem CID 167493867) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine
PubChem CID167493867
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine
SMILESCC(C)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C14H20FNO2S/c1-11(2)13-10-12(6-7-14(13)15)19(17,18)16-8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyDLCBLQPFZQZWTM-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-butoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
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1,4-bis[(4-fluoro-3-methoxyphenyl)sulfonyl]-1,4-diazepane
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1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
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propan-2-yl 2-chloro-5-piperidin-1-ylsulfonylbenzoate
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(2R)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine (CID 167493867) is 1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine is CC(C)c1cc(S(=O)(=O)N2CCCCC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine?
The InChIKey is DLCBLQPFZQZWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-11(2)13-10-12(6-7-14(13)15)19(17,18)16-8-4-3-5-9-16/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine?
1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine has a molecular weight of 285.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-propan-2-ylphenyl)sulfonylpiperidine is sourced from PubChem (CID 167493867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).